N-(furan-2-ylmethyl)-4-methyl-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide

• ChemBase ID: 387484
• Molecular Formular: C30H31N3O3
• Molecular Mass: 481.58544
• Monoisotopic Mass: 481.23654187
• SMILES: c1(c(CN(C(=O)c2ccc(cc2)C)Cc2occc2)cc2c(n1)cc1c(c2)CCC1)N1CCOCC1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1cc2cc3CCCc3cc2nc1N1CCOCC1)Cc1ccco1
• InChI: InChI=1S/C30H31N3O3/c1-21-7-9-22(10-8-21)30(34)33(20-27-6-3-13-36-27)19-26-17-25-16-23-4-2-5-24(23)18-28(25)31-29(26)32-11-14-35-15-12-32/h3,6-10,13,16-18H,2,4-5,11-12,14-15,19-20H2,1H3
• InChIKey: FOQUCFAZAHCQPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-4-methyl-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-4-methyl-N-{[2-(morpholin-4-yl)-6H,7H,8H-cyclopenta[g]quinolin-3-yl]methyl}benzamide
• Synonyms: N-(2-furylmethyl)-4-methyl-N-{[2-(4-morpholinyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.422044
• LogD (pH = 7.4): 5.9302692
• Log P: 5.9431934
• Molar Refractivity: 142.2062 cm^3
• Polarizability: 54.375515 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.28
• LOG S: -6.53
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6